Vitas-M small molecule compound
(2E)-3-(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Catalog ID
STK810700
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)/C(=O)N1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H27ClN4O2 MW 523.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O2/c32-27-13-9-23(10-14-27)22-38-29-15-11-24(12-16-29)30-26(21-36(34-30)28-7-3-1-4-8-28)19-25(20-33)31(37)35-17-5-2-6-18-35/h1,3-4,7-16,19,21H,2,5-6,17-18,22H2/b25-19+InChIKey
ILMMDTMBENHANT-NCELDCMTSA-NSynonyms
(2E)3(3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2(piperidin1ylcarbonyl)prop2enenitrile
(2E)3(3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYL1HPYRAZOL4YL)2(PIPERIDIN1YLCARBONYL)PROP2ENENITRILE
(E)3(3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)2(PIPERIDINE1CARBONYL)PROP2ENENITRILE
C1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N
InChI=1SC31H27ClN4O2c322713923(101427)223829151124(121629)3026(2136(3430)287314828)1925(2033)31(37)35175261835h1347161921H256171822H2b2519+
MFCD04484879
N#CC(=Cc1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)C(=O)N1CCCCC1
ZINC000016804869
ZINC16804869
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